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L-Valine, N-propargyloxycarbonyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-propargyloxycarbonyl-, heptadecyl ester
SpectraBase Compound ID 1y6ZmkS02LI
InChI InChI=1S/C26H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27-26(29)31-21-6-2/h2,23-24H,5,7-22H2,1,3-4H3,(H,27,29)
InChIKey IDJJKENRUVPPMG-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C26H47NO4
Exact Mass 437.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZT08I6wTKE
Name L-Valine, N-propargyloxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.350508993 u
Formula C26H47NO4
InChI InChI=1S/C26H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27-26(29)31-21-6-2/h2,23-24H,5,7-22H2,1,3-4H3,(H,27,29)
InChIKey IDJJKENRUVPPMG-UHFFFAOYSA-N
Molecular Weight 437.665 g/mol
SMILES C(CCCCCCOC(C(NC(OCC#C)=O)C(C)C)=O)CCCCCCCCCC